SCHEMBL2923447

SCHEMBL2923447

CNC(=O)C(C)(C)C[C@@H]1C[C@H](c2ccc(OCCCOC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
REN P00797 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RORC P51449 5/20 0.32
MMP1 P03956 4/20 0.32
ADAM17 P78536 1/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP13 P45452 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2922529 0.96 LMNA (0.35) CYP2C9POLBLMNASMN1; SMN2RORC
SCHEMBL2923505 0.94 CYP2C9 (0.34) CYP2C9RENCASP3CASP7POLB
SCHEMBL2917088 0.93 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2RORC
SCHEMBL2922488 0.93 CYP2C9 (0.34) CYP2C9POLBLMNASMN1; SMN2RORC
SCHEMBL2924531 0.93 CYP2C9 (0.33) CYP2C9RENCASP3CASP7POLB
SCHEMBL2923459 0.92 CYP2C9 (0.34) CYP2C9RENCASP3CASP7POLB
SCHEMBL3556787 0.92 KMT2A (0.34) CYP2C9RENPOLBLMNASMN1; SMN2
SCHEMBL1517761 0.91 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2RORC
SCHEMBL1517907 0.91 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2RORC
SCHEMBL1517905 0.91 CYP2C9 (0.33) CYP2C9POLBLMNASMN1; SMN2RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 CYP2C9 3835/4885REN 1/4885CASP3 1660/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CYP2C9 171/4885REN 1/4885CASP3 2442/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.